SCHEMBL9945946

SCHEMBL9945946

CCCOc1c(C)cccc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
SCN4A P35499 7/20 0.44
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
SCN1A P35498 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
NFKB1 P19838 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
CYP2C9 P11712 1/20 0.44
KCNK3 O14649 1/20 0.44
CACNA1F O60840 1/20 0.44
KCNK2 O95069 1/20 0.44
GBA1 P04062 1/20 0.44
MAOA P21397 1/20 0.44
HTR2A P28223 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13408055 0.89 TSHR (0.51) MAPK1SCN5ASCN9ALMNATSHR
SCHEMBL16386813 0.87 SCN4A (0.48) MAPK1SCN4ASCN5ASCN9ALMNA
SCHEMBL1991553 0.82 ALDH1A1 (0.52) SCN4ASCN5ASCN9ALMNATSHR
SCHEMBL13408056 0.81 L3MBTL1 (0.46) MAPK1SCN5ASCN9ALMNATSHR
Ammonia Solution, Strong SCHEMBL8858388 0.81 ALDH1A1 (0.50) SCN4ASCN5ASCN9ALMNATSHR
SCHEMBL16473759 0.80 SCN4A (0.55) SCN4ASCN5ASCN9ALMNATSHR
Hydrochloric Acid SCHEMBL6529869 0.80 MAPK1 (0.48) MAPK1SCN4ASCN5ASCN9ALMNA
Hydrochloric Acid SCHEMBL6519087 0.80 MAPK1 (0.45) MAPK1SCN4ASCN5ASCN9ALMNA
SCHEMBL13320404 0.79 SMN1; SMN2 (0.55) MAPK1LMNATSHRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28584097 0.79 LMNA (0.50) SCN4ASCN5ASCN9ALMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAPK1 2307/4885SCN4A 2579/4885SCN5A 1950/4885
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC MAPK1 1864/4885SCN4A 2060/4885SCN5A 919/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 MAPK1 4691/4885SCN4A 4783/4885SCN5A 4012/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.